N-tert-butyl-2-[[6-chloranyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]butanamide

Systemtic Name: N-tert-butyl-2-[[6-chloranyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]butanamide Openeye Name: N-tert-butyl-2-[[6-chloro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]butanamide CAS Name: N-tert-butyl-2-[[6-chloro-5-[4-(2-hydroxyethyl)-1-piperazinyl]-1H-benzimidazol-2-yl]thio]butanamide IUPAC Name: N-tert-butyl-2-[[6-chloro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]butanamide Traditional Name: N-tert-butyl-2-[[6-chloro-5-[4-(2-hydroxyethyl)piperazino]-1H-benzimidazol-2-yl]thio]butyramide Formula: C21H32ClN5O2S MolecularWeight: 454.02908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(C)(C)C)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CCO

Isomeric SMILES

CCC(C(=O)NC(C)(C)C)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CCO

InChI

InChI=1S/C21H32ClN5O2S/c1-5-18(19(29)25-21(2,3)4)30-20-23-15-12-14(22)17(13-16(15)24-20)27-8-6-26(7-9-27)10-11-28/h12-13,18,28H,5-11H2,1-4H3,(H,23,24)(H,25,29)